2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol

C23H26O3 — CID 59180476

IUPAC2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol
SMILESC=C(/C=C/c1cc(C)c(C)c(OC)c1)/C=C/c1cc(C)c(O)c(OC)c1
InChIInChI=1S/C23H26O3/c1-15(7-9-19-11-16(2)18(4)21(13-19)25-5)8-10-20-12-17(3)23(24)22(14-20)26-6/h7-14,24H,1H2,2-6H3/b9-7+,10-8+
InChIKeyINZLLNYCEPNJKA-FIFLTTCUSA-N
MW350.46 g/mol
LogP5.62
Rot. Bonds6

About 2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol

2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol (PubChem CID 59180476) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol.

Molecular Properties

Compound Name2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol
PubChem CID59180476
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol
SMILESC=C(/C=C/c1cc(C)c(C)c(OC)c1)/C=C/c1cc(C)c(O)c(OC)c1
InChIInChI=1S/C23H26O3/c1-15(7-9-19-11-16(2)18(4)21(13-19)25-5)8-10-20-12-17(3)23(24)22(14-20)26-6/h7-14,24H,1H2,2-6H3/b9-7+,10-8+
InChIKeyINZLLNYCEPNJKA-FIFLTTCUSA-N
XLogP5.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-methyl-4-[(E)-prop-1-enyl]phenol
CID 45266886
5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]-2-methylphenol
CID 59149568
(1E,4E)-1-(4-hydroxy-3-methoxy-5-methylphenyl)hepta-1,4-dien-3-one
CID 146846078
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
CID 117283631
2-methoxy-6-methyl-4-(2-thiophen-2-ylethenyl)phenol
CID 54060041
1-(4-hydroxy-3,5-dimethoxyphenyl)penta-1,4-dien-3-one
CID 68601857
sodium (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 139662068
(3E)-4-(3,4,5-trimethylphenyl)buta-1,3-dien-2-ol
CID 160558061
(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 735789
[2-methoxy-5-[(Z)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]phenyl]azanium
CID 58281563
2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol
CID 101267278

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol?
The IUPAC name of 2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol (CID 59180476) is 2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol.
What is the SMILES notation for 2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol?
The canonical SMILES for 2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol is C=C(/C=C/c1cc(C)c(C)c(OC)c1)/C=C/c1cc(C)c(O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol?
The InChIKey is INZLLNYCEPNJKA-FIFLTTCUSA-N. The full InChI is InChI=1S/C23H26O3/c1-15(7-9-19-11-16(2)18(4)21(13-19)25-5)8-10-20-12-17(3)23(24)22(14-20)26-6/h7-14,24H,1H2,2-6H3/b9-7+,10-8+.
What are the key properties of 2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol?
2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol has a molecular weight of 350.46 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(1E,4E)-5-(3-methoxy-4,5-dimethylphenyl)-3-methylidenepenta-1,4-dienyl]-6-methylphenol is sourced from PubChem (CID 59180476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).